ChemSpider 2D Image | 6-Ethyl-3-({4-[(4-methoxy-3-nitrophenyl)sulfonyl]-1-piperazinyl}methyl)thieno[2,3-d]pyrimidin-4(3H)-one | C20H23N5O6S2

6-Ethyl-3-({4-[(4-methoxy-3-nitrophenyl)sulfonyl]-1-piperazinyl}methyl)thieno[2,3-d]pyrimidin-4(3H)-one

  • Molecular FormulaC20H23N5O6S2
  • Average mass493.556 Da
  • Monoisotopic mass493.108978 Da
  • ChemSpider ID22101351

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

6-Ethyl-3-({4-[(4-methoxy-3-nitrophenyl)sulfonyl]-1-piperazinyl}methyl)thieno[2,3-d]pyrimidin-4(3H)-on [German] [ACD/IUPAC Name]
6-Ethyl-3-({4-[(4-methoxy-3-nitrophenyl)sulfonyl]-1-piperazinyl}methyl)thieno[2,3-d]pyrimidin-4(3H)-one [ACD/IUPAC Name]
6-Éthyl-3-({4-[(4-méthoxy-3-nitrophényl)sulfonyl]-1-pipérazinyl}méthyl)thiéno[2,3-d]pyrimidin-4(3H)-one [French] [ACD/IUPAC Name]
Thieno[2,3-d]pyrimidin-4(3H)-one, 6-ethyl-3-[[4-[(4-methoxy-3-nitrophenyl)sulfonyl]-1-piperazinyl]methyl]- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 697.3±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 102.1±3.0 kJ/mol
Flash Point: 375.5±34.3 °C
Index of Refraction: 1.708
Molar Refractivity: 124.5±0.5 cm3
#H bond acceptors: 11
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 3.82
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 84.37
ACD/KOC (pH 5.5): 824.53
ACD/LogD (pH 7.4): 2.86
ACD/BCF (pH 7.4): 87.23
ACD/KOC (pH 7.4): 852.46
Polar Surface Area: 165 Å2
Polarizability: 49.4±0.5 10-24cm3
Surface Tension: 67.4±7.0 dyne/cm
Molar Volume: 319.4±7.0 cm3

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